1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

C13H16FN3O2 — CID 7546969

IUPAC1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCNC(=O)N[C@H]1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C13H16FN3O2/c1-2-15-13(19)16-10-7-12(18)17(8-10)11-5-3-4-9(14)6-11/h3-6,10H,2,7-8H2,1H3,(H2,15,16,19)/t10-/m0/s1
InChIKeyNQABLGAAJLVEHS-JTQLQIEISA-N
MW265.29 g/mol
LogP1.25
Rot. Bonds3

About 1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 7546969) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID7546969
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCNC(=O)N[C@H]1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C13H16FN3O2/c1-2-15-13(19)16-10-7-12(18)17(8-10)11-5-3-4-9(14)6-11/h3-6,10H,2,7-8H2,1H3,(H2,15,16,19)/t10-/m0/s1
InChIKeyNQABLGAAJLVEHS-JTQLQIEISA-N
XLogP1.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide
CID 18564403
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971095
1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547224
1-[(2R)-butan-2-yl]-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546996
1-cyclopentyl-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970168
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 16819868
1-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215500
1-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 7215524
1-(2,6-dimethylphenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547436
1-(4-fluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547338
1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea
CID 16819860
2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7563337

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (CID 7546969) is 1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is CCNC(=O)N[C@H]1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of 1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is NQABLGAAJLVEHS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-2-15-13(19)16-10-7-12(18)17(8-10)11-5-3-4-9(14)6-11/h3-6,10H,2,7-8H2,1H3,(H2,15,16,19)/t10-/m0/s1.
What are the key properties of 1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 265.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 7546969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).